Computationally docked structures of congeneric ligands similar to BDBM29277. This Compound is an exact match to PDB HET ID M28 in crystal structure 2NNO, and this crystal structure was used to guide the docking calculations.

*Higher Surflex scores correspond to higher quality docked structures.Crystal structure of M28 from the 2NNO is used as reference for docking the others.CSV file for this table; mol2 file for the ligands.Docked with Surflex v2710. Full input and output files are here.Zoom = SHIFT + LEFT MOUSE BUTTON